V008-9918 Screening compound: methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

V008-9918 Screening compound: methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
V008-9918 Screening compound: methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9918
methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V008-9918

Molecular Formula

C18H15Cl2N3O2S (C18 H15 Cl2 N3 O2 S)

Compound Name

methyl 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate

IUPAC name

methyl 2-{[45-bis(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}propanoate

SMILES

CC(C(OC)=O)Sc1nnc(-c(cccc2)c2Cl)n1-c(cccc1)c1Cl

InChI

InChI=1S/C18H15Cl2N3O2S/c1-11(17(24)25-2)26-18-22-21-16(12-7-3-4-8-13(12)19)23(18)15-10-6-5-9-14(15)20/h3-11H,1-2H3/t11-/m0/s1

InChI Key

IMIOSVFGAAQGEN-NSHDSACASA-N

MDL Number (MFCD)

MFCD19844397

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.745

Distribution Coefficient, logD

4.745

Water Solubility, LogSw

-4.86

Polar Surface Area

45.857

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with V008-9918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9918?
Check Price and Availability of V008-9918, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-9918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9918
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V008-9918 available by request